(2S)-1-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (2S)-1-(4-fluoro-3-methyl-phenyl)sulfonylpiperidine-2-carboxylate CAS Name: (2S)-1-(4-fluoro-3-methylphenyl)sulfonyl-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-(4-fluoro-3-methyl-phenyl)sulfonylpipecolinate Formula: C13H15FNO4S- MolecularWeight: 300.325903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])F

InChI

InChI=1S/C13H16FNO4S/c1-9-8-10(5-6-11(9)14)20(18,19)15-7-3-2-4-12(15)13(16)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/p-1/t12-/m0/s1